Pubchem ID | 26204 |
---|---|
CAS | 13706-86-0 |
IUPAC name | 5-methylhexane-2,3-dione |
Synonyms | 5-Methylhexane-2,3-dione|5-Methyl-2,3-hexanedione|Acetylisopentanoyl|Acetyl isopentanoyl|2,3-HEXANEDIONE, 5-METHYL-|2-Methylhexa-4,5-dione|Acetylisovaleryl |
Categories | Flavor enhancer |
SMILES | CC(C)CC(=O)C(=O)C |
InCheykey | InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
128.171 | 0 | 2 | 3 | 34.1 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |